4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C93H106F3N19O17S7 — CID 160750926

About 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 160750926) has the molecular formula C93H106F3N19O17S7 and a molecular weight of 2043.45 g/mol. Its IUPAC name is 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 160750926
• Molecular Formula: C93H106F3N19O17S7
• Molecular Weight: 2043.45 g/mol
• Exact Mass: 2041.60
• IUPAC Name: 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: CC(Oc1cccc(N(C)C)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.COc1ccc2ccn(CC(=O)N3CCN(c4ccc(S(=O)(=O)Nc5nccs5)cc4)C(=O)C3)c2c1.Cc1ccccc1N1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.O=C1C(Oc2ccc(OC(F)(F)F)cc2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H30N6O4S.C24H23N5O5S2.C24H27N5O3S2.C20H16F3N3O5S2.5H2/c1-19(35-22-6-4-5-21(17-22)29(2)3)25(32)31-15-13-30(14-16-31)20-7-9-23(10-8-20)36(33,34)28-24-11-12-26-18-27-24;1-34-19-5-2-17-8-10-27(21(17)14-19)15-22(30)28-11-12-29(23(31)16-28)18-3-6-20(7-4-18)36(32,33)26-24-25-9-13-35-24;1-18-4-2-3-5-21(18)27-13-15-28(16-14-27)22-10-12-29(23(22)30)19-6-8-20(9-7-19)34(31,32)26-24-25-11-17-33-24;21-20(22,23)31-15-5-3-14(4-6-15)30-17-9-11-26(18(17)27)13-1-7-16(8-2-13)33(28,29)25-19-24-10-12-32-19;;;;;/h4-12,17-19H,13-16H2,1-3H3,(H,26,27,28);2-10,13-14H,11-12,15-16H2,1H3,(H,25,26);2-9,11,17,22H,10,12-16H2,1H3,(H,25,26);1-8,10,12,17H,9,11H2,(H,24,25);5*1H/t;;22-;;;;;;/m..0....../s1
• InChIKey: RWUPZYFUPGUFKE-DXNFXZDBSA-N
• XLogP: 13.68
• TPSA: 405.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2043.45
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 160750926) is 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(Oc1cccc(N(C)C)c1)C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.COc1ccc2ccn(CC(=O)N3CCN(c4ccc(S(=O)(=O)Nc5nccs5)cc4)C(=O)C3)c2c1.Cc1ccccc1N1CCN([C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)CC1.O=C1C(Oc2ccc(OC(F)(F)F)cc2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is RWUPZYFUPGUFKE-DXNFXZDBSA-N. The full InChI is InChI=1S/C25H30N6O4S.C24H23N5O5S2.C24H27N5O3S2.C20H16F3N3O5S2.5H2/c1-19(35-22-6-4-5-21(17-22)29(2)3)25(32)31-15-13-30(14-16-31)20-7-9-23(10-8-20)36(33,34)28-24-11-12-26-18-27-24;1-34-19-5-2-17-8-10-27(21(17)14-19)15-22(30)28-11-12-29(23(31)16-28)18-3-6-20(7-4-18)36(32,33)26-24-25-9-13-35-24;1-18-4-2-3-5-21(18)27-13-15-28(16-14-27)22-10-12-29(23(22)30)19-6-8-20(9-7-19)34(31,32)26-24-25-11-17-33-24;21-20(22,23)31-15-5-3-14(4-6-15)30-17-9-11-26(18(17)27)13-1-7-16(8-2-13)33(28,29)25-19-24-10-12-32-19;;;;;/h4-12,17-19H,13-16H2,1-3H3,(H,26,27,28);2-10,13-14H,11-12,15-16H2,1H3,(H,25,26);2-9,11,17,22H,10,12-16H2,1H3,(H,25,26);1-8,10,12,17H,9,11H2,(H,24,25);5*1H/t;;22-;;;;;;/m..0....../s1.

What are the key properties of 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 2043.45 g/mol, XLogP of 13.68, 28 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-[3-(dimethylamino)phenoxy]propanoyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide;4-[4-[2-(6-methoxyindol-1-yl)acetyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen;4-[2-oxo-3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 160750926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).